2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

C39H53N11O2 — CID 121421107

IUPAC2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C39H53N11O2/c1-26-13-15-32-34(38(45-49(32)28(26)3)51-23-11-21-47-17-7-5-8-18-47)42-36-30(40)25-31(41)37(44-36)43-35-33-16-14-27(2)29(4)50(33)46-39(35)52-24-12-22-48-19-9-6-10-20-48/h13-16,25,40H,5-12,17-24,41H2,1-4H3,(H,42,43,44)/b40-30+
InChIKeyVBJNPHDJNWFMFQ-QSWGGJQDSA-N
MW707.93 g/mol
LogP6.14
Rot. Bonds12

About 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421107) has the molecular formula C39H53N11O2 and a molecular weight of 707.93 g/mol. Its IUPAC name is 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421107
Molecular FormulaC39H53N11O2
Molecular Weight707.93 g/mol
Exact Mass707.44
IUPAC Name2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C39H53N11O2/c1-26-13-15-32-34(38(45-49(32)28(26)3)51-23-11-21-47-17-7-5-8-18-47)42-36-30(40)25-31(41)37(44-36)43-35-33-16-14-27(2)29(4)50(33)46-39(35)52-24-12-22-48-19-9-6-10-20-48/h13-16,25,40H,5-12,17-24,41H2,1-4H3,(H,42,43,44)/b40-30+
InChIKeyVBJNPHDJNWFMFQ-QSWGGJQDSA-N
XLogP6.14
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.93
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421107) is 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.
What is the SMILES notation for 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is VBJNPHDJNWFMFQ-QSWGGJQDSA-N. The full InChI is InChI=1S/C39H53N11O2/c1-26-13-15-32-34(38(45-49(32)28(26)3)51-23-11-21-47-17-7-5-8-18-47)42-36-30(40)25-31(41)37(44-36)43-35-33-16-14-27(2)29(4)50(33)46-39(35)52-24-12-22-48-19-9-6-10-20-48/h13-16,25,40H,5-12,17-24,41H2,1-4H3,(H,42,43,44)/b40-30+.
What are the key properties of 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 707.93 g/mol, XLogP of 6.14, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).